SCHEMBL11616630

SCHEMBL11616630

C=CCSCCNC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9168885 0.75
SCHEMBL11648481 0.75 TSHR (0.46) TSHRALDH1A1
SCHEMBL8419253 0.73 TSHR (0.50) TSHRALDH1A1
Diallyl Sulfide SCHEMBL27594427 0.73 ALOX5 (0.65) TSHRALOX5SMN1; SMN2MAPTCACNA1B
SCHEMBL9287637 0.72
SCHEMBL11555964 0.72 TSHR (0.48) TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL30662613 0.72 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1
SCHEMBL5804452 0.72
Hydrochloric Acid SCHEMBL11129880 0.72
Hydrochloric Acid SCHEMBL17633923 0.71 TSHR (0.46) TSHRMAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4073898-A Composition for reducing the oily appearance of the hair and skin L'OREAL (FR) 1978-02-14 US disclosed